Information card for entry 7107806

Structure parameters

• Formula: C23 H32 O3
• Calculated formula: C23 H32 O3
• SMILES: C1(C=C2[C@](C=C1)([C@H]1CC[C@@]3(C(=O)CC[C@H]3[C@@H]1C[C@H]2OC(C)(C)C)C)C)=O
• Title of publication: Convenient method for the functionalization of the 4- and 6-positions of the androgen skeleton
• Authors of publication: Daniel Morton; Allison R. Dick; Debashis Ghosh; Huw M. L. Davies
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5838
• a: 11.061 ± 0.004 Å
• b: 11.333 ± 0.004 Å
• c: 16.323 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2046.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2368
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No